5,11-bis(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

C69H45N5 — CID 170255408

About 5,11-bis(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

5,11-bis(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 170255408) has the molecular formula C69H45N5 and a molecular weight of 944.15 g/mol. Its IUPAC name is 5,11-bis(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 5,11-bis(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• PubChem CID: 170255408
• Molecular Formula: C69H45N5
• Molecular Weight: 944.15 g/mol
• Exact Mass: 943.37
• IUPAC Name: 5,11-bis(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6c(-c7cccc(-c8ccccc8)c7)cc7c8ccccc8n(-c8cccc(-c9ccccc9)c8)c7c65)n4)cc3)c2)cc1
• InChI: InChI=1S/C69H45N5/c1-5-20-46(21-6-1)52-28-17-29-53(42-52)49-38-40-51(41-39-49)68-70-67(50-26-11-4-12-27-50)71-69(72-68)74-63-37-16-14-35-59(63)64-60(56-32-18-30-54(43-56)47-22-7-2-8-23-47)45-61-58-34-13-15-36-62(58)73(65(61)66(64)74)57-33-19-31-55(44-57)48-24-9-3-10-25-48/h1-45H
• InChIKey: PSZZZCDGYJAJSM-UHFFFAOYSA-N
• XLogP: 17.73
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	944.15
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5,11-bis(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The IUPAC name of 5,11-bis(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 170255408) is 5,11-bis(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

What is the SMILES notation for 5,11-bis(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The canonical SMILES for 5,11-bis(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6c(-c7cccc(-c8ccccc8)c7)cc7c8ccccc8n(-c8cccc(-c9ccccc9)c8)c7c65)n4)cc3)c2)cc1.

What is the InChIKey of 5,11-bis(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The InChIKey is PSZZZCDGYJAJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45N5/c1-5-20-46(21-6-1)52-28-17-29-53(42-52)49-38-40-51(41-39-49)68-70-67(50-26-11-4-12-27-50)71-69(72-68)74-63-37-16-14-35-59(63)64-60(56-32-18-30-54(43-56)47-22-7-2-8-23-47)45-61-58-34-13-15-36-62(58)73(65(61)66(64)74)57-33-19-31-55(44-57)48-24-9-3-10-25-48/h1-45H.

What are the key properties of 5,11-bis(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

5,11-bis(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 944.15 g/mol, XLogP of 17.73, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11-bis(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 170255408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).